chempirical

1-Bromo-3-chloro-2-methylpropane

C4H8BrClCAS 6974-77-2171.46 g/mol

Open in Covalent MOL file
ClBr
Alkyl halide

Properties

Molecular formula
C4H8BrCl
Molar mass
171.46 g/mol
Exact mass
169.9498 Da
Density
1.4845 g/mL (at 20 °C)
Boiling point
155 °C
logP
2.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
6974-77-2
SMILES
CC(CCl)CBr
InChIKey
ZKDOQFPDSUOLGF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Propane, 1-bromo-3-chloro-2-methyl-
  • 2-Methyl-1-chloro-3-bromopropane
  • 3-Bromo-2-methyl-1-chloropropane
  • 1-Chloro-3-bromo-2-methylpropane
  • NSC 21695
  • 2-Methyl-1-bromo-3-chloropropane

Work with 1-Bromo-3-chloro-2-methylpropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-methylbutane10422-35-250 % similar (2S)-1-Bromo-2-methylbutane534-00-950 % similar 1-Chloro-2-methylbutane616-13-750 % similar (γ-Chloro-β-methylpropyl)dimethylamine-hydrochloride4261-67-044 % similar 1,2-Dibromo-3-chloropropane96-12-843 % similar 2-Bromo-1-chloropropane3017-95-639 % similar Isobutyl chloride513-36-038 % similar 1-Bromo-2-methylpropane78-77-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-chlorobutane6940-78-9

Elsewhere

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